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CAS 1639-31-2 3,4,5-TRIMETHYLANILINE molecular structure lightbox
CAS RN: 1639-31-2

3,4,5-TRIMETHYLANILINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-071496
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 1g, 0.25g, 25g
  • Available purity: >96%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1639-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >96% 3 In Stock Shenzhen Inquiry
10g >96% 3 In Stock Shanghai Inquiry
1g >96% 1 In Stock Shanghai Inquiry
0.25g >96% 0 Out of Stock Shenzhen Inquiry
25g >96% 0 Out of Stock Hong Kong Inquiry

1639-31-2 / 3,4,5-trimethylaniline

Standard CAS: 1639-31-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1639-31-2
Multi CAS
No
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
SMILES
CC1=CC(=CC(=C1C)C)N
InChI
InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
InChIKey
BXCUMAUHMPSRPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.07
TPSA
26.02

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.6
Consensus LogP
2.24
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301+H311 (50%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (50%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

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